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BDBM50131475 CHEMBL96893::Ethyl-carbamic acid 2-({[(S)-1-((S)-3-amino-3-cyclohexyl-propionyl)-py rrolidine-2-carbonyl]-amino}-methyl)-4-chloro-phenyl ester

SMILES: CCNC(=O)Oc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C1CCCCC1

InChI Key: InChIKey=UUBLAEDHGPEGDK-ICSRJNTNSA-N

Data: 1 KI

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50131475   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Prothrombin


(Homo sapiens (Human))		BDBM50131475
PNG
(CHEMBL96893 | Ethyl-carbamic acid 2-({[(S)-1-((S)-...)
Show SMILES CCNC(=O)Oc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C1CCCCC1
Show InChI InChI=1S/C23H33ClN4O4/c1-2-26-23(31)32-19-11-10-17(24)13-16(19)14-27-21(29)18-9-6-12-28(18)22(30)20(25)15-7-4-3-5-8-15/h10-11,13,15,18,20H,2-9,12,14,25H2,1H3,(H,26,31)(H,27,29)/t18-,20-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
PubMed
 0.740n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin IIa

Bioorg Med Chem Lett 13: 2781-4 (2003)


BindingDB Entry DOI: 10.7270/Q2GF0V2P
More data for this
Ligand-Target Pair